#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1h s ARG 47 N -3.42 1.88 1.19 0.00 1.70 0.00 -5.39 118.95 114.90 3h1h s ARG 47 Ca 0.00 -0.94 -0.19 0.00 -0.47 0.00 0.00 55.73 54.13 3h1h s ARG 47 Cb 0.00 -1.89 0.28 0.00 -0.57 0.00 0.00 34.95 32.77 3h1h s ARG 47 CO 0.00 0.51 1.14 -2.14 -1.08 0.00 0.00 175.30 173.73 3h1h s PRO 48 N -0.79 -1.10 -0.07 3.89 0.02 -1.26 -5.09 135.00 130.60 3h1h s PRO 48 Ca 0.10 -0.17 0.05 0.00 0.02 0.00 0.00 61.00 61.00 3h1h s PRO 48 Cb -0.09 -1.62 -0.00 0.00 0.02 0.00 0.00 34.50 32.80 3h1h s PRO 48 CO 0.00 -3.61 -0.22 -0.51 -0.33 0.00 0.00 177.00 172.32 3h1h s LEU 49 N -6.83 2.02 0.00 -5.54 1.43 -1.26 -5.01 118.68 103.49 3h1h s LEU 49 Ca 0.72 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 3h1h s LEU 49 Cb -0.08 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.86 3h1h s LEU 49 CO 0.55 0.19 0.00 0.18 0.23 0.00 0.00 176.35 177.50 3h1h n LEU 50 N 3.23 0.01 -3.85 1.79 4.77 -1.26 -5.10 117.00 116.58 3h1h n LEU 50 Ca -0.18 -0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.64 3h1h n LEU 50 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 3h1h n LEU 50 CO 0.26 0.00 -0.17 0.00 -1.33 0.00 0.00 177.39 176.16 3h1h h ARG 52 N 4.66 0.00 -0.06 0.00 3.08 -1.99 0.38 114.38 120.44 3h1h h ARG 52 Ca -0.29 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.54 3h1h h ARG 52 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3h1h h ARG 52 CO 0.40 0.00 -0.85 0.93 -1.07 0.00 0.00 179.97 179.39 3h1h h GLU 53 N 0.00 0.54 0.00 0.04 3.07 -1.95 -1.07 114.58 115.21 3h1h h GLU 53 Ca 0.00 -0.50 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 3h1h h GLU 53 Cb 1.01 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3h1h h GLU 53 CO 0.00 1.13 -0.80 0.43 -1.40 0.00 0.00 179.01 178.36 3h1h n SER 54 N -3.84 0.63 -0.00 1.42 7.64 0.08 -4.03 113.62 115.54 3h1h n SER 54 Ca -0.07 -0.29 0.10 0.00 1.01 0.00 0.00 58.87 59.62 3h1h n SER 54 Cb 0.78 0.57 -0.13 0.00 -1.01 0.00 0.00 64.21 64.42 3h1h n SER 54 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3h1h n MET 55 N -1.76 0.52 -2.56 1.43 2.81 -0.96 -4.83 117.12 111.77 3h1h n MET 55 Ca 0.04 -0.06 -0.43 0.00 -1.81 0.00 0.00 57.70 55.44 3h1h n MET 55 Cb 0.39 -1.45 -0.02 0.00 -0.71 0.00 0.00 33.22 31.43 3h1h n MET 55 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3h1h s SER 56 N -3.32 7.04 0.00 7.83 1.04 -0.41 -2.59 113.70 123.29 3h1h s SER 56 Ca 0.03 1.52 0.00 0.00 0.48 0.00 0.00 55.95 57.98 3h1h s SER 56 Cb 0.14 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.72 3h1h s SER 56 CO 0.82 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.95 3h1h n GLY 57 N 3.44 1.19 0.00 7.32 0.00 -1.26 -4.92 105.19 110.95 3h1h n GLY 57 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 3h1h n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1h n ARG 58 N -1.47 0.66 -2.90 1.61 5.12 -1.07 -4.80 116.66 113.82 3h1h n ARG 58 Ca 0.00 0.01 -0.41 0.00 -1.93 0.00 0.00 57.85 55.53 3h1h n ARG 58 Cb 0.00 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 29.76 3h1h n ARG 58 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3h1h s SER 59 N -2.27 7.22 -0.28 0.55 0.01 -1.26 -4.95 113.70 112.72 3h1h s SER 59 Ca 0.35 1.47 -0.39 0.00 1.31 0.00 0.00 55.95 58.69 3h1h s SER 59 Cb 0.19 -2.49 -0.15 0.00 0.21 0.00 0.00 66.02 63.78 3h1h s SER 59 CO 0.37 -0.11 1.81 0.00 0.41 0.00 0.00 173.24 175.72 3h1h n ALA 60 N 3.41 0.04 -0.06 1.44 0.00 -1.26 -4.86 120.51 119.22 3h1h n ALA 60 Ca 0.01 0.33 -0.04 0.00 0.00 0.00 0.00 53.44 53.74 3h1h n ALA 60 Cb 0.51 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 3h1h n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1h h ARG 61 N 7.94 0.00 0.00 0.00 3.08 -1.92 -3.50 114.38 119.97 3h1h h ARG 61 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3h1h h ARG 61 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3h1h h ARG 61 CO 0.97 0.17 0.00 0.54 -1.07 0.00 0.00 179.97 180.58 3h1h n ARG 62 N -4.69 0.00 -0.78 0.04 1.74 -1.26 -5.15 116.66 106.56 3h1h n ARG 62 Ca -0.05 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.70 3h1h n ARG 62 Cb 0.17 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 31.74 3h1h n ARG 62 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3h1h n ASP 63 N 0.00 -2.29 -4.80 0.55 5.75 -1.26 -4.97 116.55 109.53 3h1h n ASP 63 Ca 0.00 0.24 -0.37 0.00 -0.01 0.00 0.00 54.79 54.64 3h1h n ASP 63 Cb 0.00 -1.14 -0.06 0.00 -1.03 0.00 0.00 41.12 38.89 3h1h n ASP 63 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3h1h s LEU 64 N -0.75 4.38 0.04 -2.12 2.96 -1.26 -4.97 118.68 116.95 3h1h s LEU 64 Ca 0.56 0.76 0.09 0.00 -0.22 0.00 0.00 54.13 55.32 3h1h s LEU 64 Cb -0.19 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 3h1h s LEU 64 CO 0.68 0.25 -0.24 -0.69 -1.32 0.00 0.00 176.35 175.02 3h1h s VAL 65 N -0.51 1.97 0.00 1.68 1.01 -1.25 -5.03 120.40 118.28 3h1h s VAL 65 Ca 0.21 -1.31 0.07 0.00 0.00 0.00 0.00 61.98 60.95 3h1h s VAL 65 Cb -0.15 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 3h1h s VAL 65 CO 0.09 0.32 -0.21 0.00 0.00 0.00 0.00 175.10 175.31 3h1h s ALA 66 N -0.79 1.75 0.02 5.51 0.00 -1.26 -3.40 121.76 123.58 3h1h s ALA 66 Ca 0.10 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 3h1h s ALA 66 Cb -0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 3h1h s ALA 66 CO 0.02 0.42 0.05 0.20 0.00 0.00 0.00 175.76 176.45 3h1h s GLY 67 N -0.68 0.16 -0.03 0.00 0.00 -1.09 -5.02 107.32 100.66 3h1h s GLY 67 Ca 0.08 -0.40 -0.02 0.00 0.00 0.00 0.00 44.72 44.38 3h1h s GLY 67 CO -0.00 -0.51 0.07 -0.42 0.00 0.00 0.00 173.10 172.24 3h1h s ILE 68 N -1.59 -0.01 0.33 0.90 -1.09 -1.26 -2.58 121.20 115.89 3h1h s ILE 68 Ca -0.14 0.05 0.10 0.00 -2.23 0.00 0.00 60.65 58.43 3h1h s ILE 68 Cb -0.08 -0.11 -0.06 0.00 -1.58 0.00 0.00 42.46 40.63 3h1h s ILE 68 CO -0.00 0.02 -0.09 -0.44 -1.23 0.00 0.00 174.94 173.20 3h1h s SER 69 N 0.32 3.82 0.11 3.58 0.01 -1.26 -5.03 113.70 115.25 3h1h s SER 69 Ca -0.02 -1.11 0.14 0.00 1.31 0.00 0.00 55.95 56.27 3h1h s SER 69 Cb -0.04 -0.39 -0.12 0.00 0.21 0.00 0.00 66.02 65.69 3h1h s SER 69 CO -0.01 -0.16 1.04 0.17 0.41 0.00 0.00 173.24 174.69 3h1h h LEU 70 N 2.02 0.00 -5.48 2.44 -0.00 -2.01 -3.38 115.31 108.90 3h1h h LEU 70 Ca -0.42 0.00 -0.45 0.00 -0.00 0.00 0.00 57.88 57.01 3h1h h LEU 70 Cb 1.25 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 41.51 3h1h h LEU 70 CO 0.67 0.71 -1.12 -0.46 -0.00 0.00 0.00 178.44 178.24 3h1h n ASN 71 N -3.09 1.62 -3.60 0.17 6.94 -1.26 -5.09 115.26 110.95 3h1h n ASN 71 Ca -0.06 -3.01 -0.06 0.00 -0.02 0.00 0.00 54.58 51.44 3h1h n ASN 71 Cb 0.87 -0.57 -0.04 0.00 -2.36 0.00 0.00 39.78 37.68 3h1h n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h1h s ALA 72 N -2.84 -2.03 0.36 -2.53 0.00 -1.26 -4.70 121.76 108.75 3h1h s ALA 72 Ca 0.37 1.68 -0.26 0.00 0.00 0.00 0.00 51.96 53.74 3h1h s ALA 72 Cb 0.39 -0.79 -0.12 0.00 0.00 0.00 0.00 23.12 22.60 3h1h s ALA 72 CO -0.05 -0.38 1.08 -2.30 0.00 0.00 0.00 175.76 174.11 3h1h n PRO 73 N 0.38 1.54 -2.23 0.00 -0.02 -1.26 -4.10 135.00 129.31 3h1h n PRO 73 Ca -0.04 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 3h1h n PRO 73 Cb 0.58 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 3h1h n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h1h s ALA 74 N -1.16 3.54 0.30 3.55 0.00 -1.26 -4.62 121.76 122.11 3h1h s ALA 74 Ca 0.60 1.04 0.07 0.00 0.00 0.00 0.00 51.96 53.66 3h1h s ALA 74 Cb -0.61 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 18.97 3h1h s ALA 74 CO 0.59 -0.59 0.33 -1.54 0.00 0.00 0.00 175.76 174.55 3h1h s SER 75 N 1.15 5.66 -0.07 0.00 1.04 -1.07 -4.88 113.70 115.53 3h1h s SER 75 Ca 0.63 -0.29 -0.27 0.00 0.48 0.00 0.00 55.95 56.51 3h1h s SER 75 Cb -0.35 -1.25 0.06 0.00 0.10 0.00 0.00 66.02 64.58 3h1h s SER 75 CO 0.30 -0.27 0.61 0.54 0.98 0.00 0.00 173.24 175.39 3h1h s VAL 76 N -2.19 0.01 0.00 5.02 0.11 -1.26 -2.65 120.40 119.44 3h1h s VAL 76 Ca 0.39 -0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 3h1h s VAL 76 Cb -0.08 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 3h1h s VAL 76 CO 0.28 -0.05 0.20 0.54 -3.33 0.00 0.00 175.10 172.74